SCHEMBL6846986

SCHEMBL6846986

CNCCn1cnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
LMNA P02545 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HTT P42858 5/20 0.58
EGLN3 Q9H6Z9 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP11B1 P15538 4/20 0.53
CYP11B2 P19099 4/20 0.53
TNF P01375 1/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51
LTA4H P09960 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6849673 0.90 TDP1 (0.66) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL24863183 0.83 TDP1 (0.66) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL6442808 0.83 TDP1 (1.00) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL8327961 0.82 TDP1 (0.63) TDP1LMNASMN1; SMN2HTTEGLN3
Hydrochloric Acid SCHEMBL6948782 0.81 TDP1 (0.61) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL230330 0.80 TDP1 (0.78) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL8146665 0.80 MTNR1A (0.64) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL30294105 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL3161153 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL9814242 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199127-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-25 US disclosed
EP-3630768-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-04-08 EP disclosed
WO-2018219927-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-12-06 WO disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
US-4737495-A ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS DR. KARL TOMAE, GMBH (DE) 1988-04-12 US disclosed
EP-0204349-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-12-10 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 (4 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-20200199127-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ADRB2, ADRA2C, OPRD1 TDP1 2157/4885LMNA 2782/4885SMN1; SMN2 2311/4885
US-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 TDP1 3695/4885LMNA 4098/4885SMN1; SMN2 3954/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 TDP1 3695/4885LMNA 4098/4885SMN1; SMN2 3954/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK TDP1 752/4885LMNA 1528/4885SMN1; SMN2 1488/4885

“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.