SCHEMBL8908977

SCHEMBL8908977

C=CCNc1nc(Cl)c2ccn(C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SHMT2 P34897 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PDE7A Q13946 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SUMO3 P55854 1/20 0.34
SUMO2 P61956 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9912530 0.80 SHMT2 (0.47) KMT2ASHMT2CYP1A2CYP3A4CYP2C9
SCHEMBL9102474 0.80 KMT2A (0.41) KMT2AMEN1
SCHEMBL10169150 0.77 SHMT2 (0.42) KMT2ASHMT2CYP1A2CYP3A4CYP2C9
SCHEMBL17369083 0.75 LRRK2 (0.33)
SCHEMBL9272356 0.74 SHMT2 (0.36) KMT2ASHMT2MAPTMAPK1ALDH1A1
SCHEMBL8907552 0.74 BCDIN3D (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9102224 0.74 ADORA2A (0.34)
Hydrochloric Acid SCHEMBL8909186 0.74 BCDIN3D (0.41) KMT2ASHMT2MAPTSMN1; SMN2ALDH1A1
SCHEMBL9422654 0.72 SHMT2 (0.40) SHMT2MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9422655 0.72 SHMT2 (0.40) SHMT2MAPTMAPK1SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
WO-2013181217-A2 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2013-12-05 WO disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
WO-2012074999-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-06-07 WO disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 US disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 US disclosed
EP-0514540-B1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-07-17 EP disclosed
EP-0514540-A1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-11-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C KMT2A 1945/4885SHMT2 1208/4885CYP1A2 457/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 KMT2A 3102/4885SHMT2 560/4885CYP1A2 1058/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 KMT2A 2815/4885SHMT2 349/4885CYP1A2 2352/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C KMT2A 1802/4885SHMT2 1336/4885CYP1A2 472/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 KMT2A 3102/4885SHMT2 560/4885CYP1A2 1058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.