SCHEMBL59144

SCHEMBL59144

O=C(Nc1ccccc1)Oc1ccc(F)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.50
CXCR1 P25024 4/20 0.50
HSP90AA1 P07900 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 4/20 0.46
FAAH O00519 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL59951 0.82 ATM (0.48) HSP90AA1NPC1RAB9AGAAALDH1A1
SCHEMBL60180 0.81 NPC1 (0.59) NPC1RAB9AGAAALDH1A1HTT
SCHEMBL15174163 0.78 ALDH1A1 (0.39) CXCR2CXCR1NPC1RAB9AGAA
SCHEMBL6629780 0.78 NPC1 (0.56) HSP90AA1NPC1RAB9AGAAALDH1A1
SCHEMBL27718373 0.76 ALDH1A1 (0.49) HSP90AA1NPC1RAB9AGAAALDH1A1
SCHEMBL28395058 0.76 ALDH1A1 (0.70) NPC1RAB9AFAAHGAAALDH1A1
SCHEMBL17169383 0.74 RAB9A (0.68) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL28109373 0.74 HSP90AA1 (0.49) HSP90AA1NPC1RAB9AGAAALDH1A1
SCHEMBL32671808 0.73 KMT2A (0.49) CXCR2NPC1RAB9AFAAHALDH1A1
SCHEMBL59145 0.73 KMT2A (0.49) CXCR2NPC1RAB9AFAAHALDH1A1

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 7 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
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-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
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP 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 CXCR2 2938/4885CXCR1 2359/4885HSP90AA1 742/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 CXCR2 2878/4885CXCR1 2254/4885HSP90AA1 656/4885

“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.