SCHEMBL2635568

SCHEMBL2635568

NC(=O)Oc1ncccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
SSTR4 P31391 6/20 0.42
SSTR1 P30872 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HSD11B1 P28845 1/20 0.41
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40
P2RY1 P47900 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
NFE2L2 Q16236 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
Hydrochloric Acid SCHEMBL26136590 0.98 TRPV1 (0.41) KIF11TRPV1SSTR4SSTR1ALDH1A1
SCHEMBL5709212 0.85 TRPV1 (0.43) TRPV1SSTR4SSTR1ALDH1A1MAPT
SCHEMBL4947195 0.83 SSTR4 (0.44) TRPV1SSTR4SSTR1P2RY1SLC22A12
SCHEMBL29100772 0.83 P2RY1 (0.44) P2RY1
SCHEMBL4527979 0.82 SSTR4 (0.46) TRPV1SSTR4SSTR1
SCHEMBL5709016 0.81 SLC22A12 (0.47) SSTR4SSTR1P2RY1SLC22A12NFE2L2
SCHEMBL4527982 0.78 SSTR4 (0.44) TRPV1SSTR4SSTR1
SCHEMBL17558277 0.78 CTNNB1 (0.45) SSTR4SSTR1CTNNB1WNT3A
SCHEMBL30783201 0.78 CTNNB1 (0.45) SSTR4SSTR1CTNNB1WNT3A
SCHEMBL29142191 0.78 RAB9A (0.44) KIF11ALDH1A1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023179771-A1 CRYSTALLINE FORMS AND SALTS OF A PI3K INHIBITOR AND METHODS OF MAKING AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO 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-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 KIF11 2001/4885TRPV1 2264/4885SSTR4 398/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KIF11 1975/4885TRPV1 2154/4885SSTR4 418/4885

“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.