SCHEMBL279720

SCHEMBL279720

Cc1ccc(-c2c(C)c(C)n(C)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 2/20 0.40
▸ GRIA4 P48058 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ HPGD P15428 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ PDE9A O76083 4/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL279719 0.81 ALDH1A1 (0.39) GRIA2GRIA4ALDH1A1CYP2A6HPGD
SCHEMBL7852841 0.69 TACR1 (0.51) ALDH1A1KDM4ECYP1A2PDE9APDE1C
SCHEMBL28061522 0.66 ALDH1A1 (0.45) GRIA2GRIA4ALDH1A1HPGDKDM4E
SCHEMBL28349524 0.66 ALDH1A1 (0.42) GRIA2GRIA4ALDH1A1CYP2A6HPGD
SCHEMBL10970573 0.65 — —
SCHEMBL11860703 0.64 ACHE (0.47) ALDH1A1HPGDKMT2ACYP2C9TDP1
SCHEMBL9710622 0.63 GSK3A (0.49) ALDH1A1CYP2A6HPGDKDM4EGAA
SCHEMBL942 0.63 TSHR (0.46) ALDH1A1CYP2A6HPGDKDM4EGAA
SCHEMBL21385864 0.63 ACHE (0.61) ALDH1A1HPGDCYP2C9TDP1LMNA
SCHEMBL12872136 0.62 ADORA1 (0.45) GRIA2GRIA4ALDH1A1HPGDKDM4E

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-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 — — US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 — — US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 — — US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 — — 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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 GRIA2 2192/4885GRIA4 2405/4885ALDH1A1 3137/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 GRIA2 2192/4885GRIA4 2405/4885ALDH1A1 3137/4885

“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.

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