SCHEMBL1762743

SCHEMBL1762743

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(C(F)(F)F)cn3)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 2/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTK2 Q05397 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 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
SCHEMBL1762763 0.89 KCNH2 (0.38) MCHR1CDC7CDK2PTK2
SCHEMBL1762998 0.82 KCNH2 (0.43) MAPTKDM4EALDH1A1PTK2KMT2A
SCHEMBL1762602 0.81 C5AR1 (0.37) MAPTPTK2
SCHEMBL1762622 0.81 KCNH2 (0.38) PTK2MAPK1
SCHEMBL1762583 0.81 PTK2 (0.53) MAPTPTK2
SCHEMBL1762893 0.80 PTK2 (0.39) MAPTSMN1; SMN2HPGDCDC7CDK2
SCHEMBL1763011 0.80 KCNQ3 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL1762713 0.79 DGAT1 (0.42) MAPTHPGDALDH1A1PTK2LMNA
SCHEMBL1762834 0.79 DGAT1 (0.39) MCHR1MAPTL3MBTL1
SCHEMBL1762745 0.79 PTK2 (0.38) PTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 US 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 (2 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 MCHR1 959/4885DRD4 535/4885GRM2 1423/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MCHR1 959/4885DRD4 535/4885GRM2 1423/4885

“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.