SCHEMBL59787

SCHEMBL59787

CCCCOC(=O)c1cc(-c2ccc(N)cc2)c2c(N)ncnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 14/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL59466 0.84 MAP4K4 (0.46) ACVRL1NPC1RAB9A
SCHEMBL58987 0.83 ESR1 (0.44) ACVRL1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL60377 0.76 LMNA (0.45) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL19377764 0.73 ACVRL1 (0.64) ACVRL1
SCHEMBL59573 0.71 ACVRL1 (0.65) ACVRL1
Butamben SCHEMBL81735 0.66 LMNA (1.00) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14488152 0.66 ACVRL1 (1.00) ACVRL1
Butamben SCHEMBL9561560 0.66 LMNA (0.90) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL30254348 0.65 KMT2A (0.39) LMNACYP1A2CYP3A4CYP2C9TSHR
Butamben SCHEMBL28512544 0.65 LMNA (0.97) LMNACYP1A2CYP3A4CYP2C9TSHR

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
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885LMNA 3330/4885CYP1A2 2817/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885LMNA 3218/4885CYP1A2 2967/4885

“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.