SCHEMBL14836765

SCHEMBL14836765

COC(=O)c1cccn2cc(-c3ccccc3)nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.71
ALDH1A1 P00352 6/20 0.68
ALDH1A3 P47895 5/20 0.68
ALDH1A2 O94788 3/20 0.68
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TMIGD3 P0DMS9 9/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 3/20 0.48
HTR2A P28223 1/20 0.47
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL18038200 0.88 DHODH (0.59) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL2315706 0.86 DHODH (0.66) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL1481133 0.86 DHODH (0.94) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
Bromide SCHEMBL9086996 0.85 DHODH (0.64) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL10211959 0.83 DHODH (1.00) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL5071964 0.82 DHODH (0.76) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL9089968 0.80 ALDH1A1 (0.44) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL12753158 0.80 DHODH (0.69) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL5073318 0.80 DHODH (0.82) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E
SCHEMBL20605171 0.79 ALDH1A1 (0.43) DHODHALDH1A1ALDH1A3ALDH1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128552-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-05-06 US disclosed
US-20190142826-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-05-16 US disclosed
US-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2018-10-30 US disclosed
US-10058549-B2 Imidazo[1,2-α]pyridine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2018-08-28 US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 EP disclosed
US-20170151236-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2017-06-01 US disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 WO disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 WO disclosed
EP-2190844-B3 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2013-07-17 EP disclosed
EP-2190844-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2013-04-10 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 (6 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-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, CIT DHODH 3502/4885ALDH1A1 3038/4885ALDH1A3 3147/4885
US-20170151236-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR2A, HTR1A, HTR2B DHODH 3446/4885ALDH1A1 1447/4885ALDH1A3 3444/4885
US-10058549-B2 Imidazo[1,2-α]pyridine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR1A, HTR2A, HTR5A DHODH 3148/4885ALDH1A1 1065/4885ALDH1A3 2465/4885
US-20210128552-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR1A, HTR2A, HTR2B DHODH 3514/4885ALDH1A1 1348/4885ALDH1A3 3342/4885
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT DHODH 3502/4885ALDH1A1 3038/4885ALDH1A3 3147/4885
US-20190142826-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR1A, HTR2A, HTR5A DHODH 3223/4885ALDH1A1 1056/4885ALDH1A3 2484/4885

“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.