SCHEMBL6754956

SCHEMBL6754956

O=C1CSc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.68
MAOB P27338 8/20 0.60
MAOA P21397 7/20 0.60
EPHX2 P34913 1/20 0.60
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HTT P42858 1/20 0.46
CYBB P04839 1/20 0.45
NOX3 Q9HBY0 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45

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
SCHEMBL10651353 0.90 KIF11 (0.58) KIF11MAOBMAOAEPHX2HTT
SCHEMBL4596362 0.89 KIF11 (0.61) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL4888650 0.85 KIF11 (0.67) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL12922252 0.85 EPHX2 (0.63) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL11242330 0.84 MAOB (0.58) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL13662106 0.80 EPHX2 (0.56) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL1878456 0.79 CYP11B1 (0.62) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL3380357 0.79 KIF11 (0.52) KIF11
SCHEMBL5751107 0.79 MAOB (0.64) KIF11MAOBMAOAEPHX2CYP11B1
SCHEMBL6752830 0.78 MAOB (0.66) KIF11MAOBMAOAEPHX2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262145-B 2-aminopyrimidine derivative and preparation method and application thereof 上海奕拓医药科技有限责任公司 2023-08-01 CN disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
CN-112262145-A 2-aminopyrimidine derivatives, preparation method and application thereof 上海奕拓医药科技有限责任公司 2021-01-22 CN disclosed
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 EP disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 KIF11 4115/4885MAOB 495/4885MAOA 1637/4885
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof IDH1, IDH2, IDH3B KIF11 3797/4885MAOB 3024/4885MAOA 3722/4885

“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.