SCHEMBL21392090

SCHEMBL21392090

Nc1ccc(-c2cncc(C3CC3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.43
PIM2 Q9P1W9 3/20 0.43
PIM3 Q86V86 3/20 0.43
CYP11B2 P19099 9/20 0.43
CYP11B1 P15538 7/20 0.42
MAPK1 P28482 6/20 0.41
CTPS1 P17812 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
SCHEMBL25524054 0.77 CYP11B2 (0.62) PIM1PIM2PIM3CYP11B2CYP11B1
SCHEMBL21044144 0.75 CYP11B2 (0.50) PIM1CYP11B2CYP11B1CTPS1
SCHEMBL32663050 0.75 CYP11B2 (0.50) PIM1CYP11B2CYP11B1CTPS1
SCHEMBL21392091 0.74 MTOR (0.41) PIM1PIM2PIM3MAPK1CTPS1
SCHEMBL22869121 0.73 CYP11B2 (0.45) PIM1PIM3CYP11B2CYP11B1
SCHEMBL22869136 0.73 CYP11B2 (0.72) CYP11B2CYP11B1
SCHEMBL21373703 0.73 CYP11B2 (0.67) PIM1PIM2PIM3CYP11B2CYP11B1
SCHEMBL9904760 0.71 FYN (0.58) PIM1PIM2PIM3CYP11B2CYP11B1
SCHEMBL21373760 0.70 CYP11B2 (0.49) PIM1PIM2PIM3CYP11B2CYP11B1
SCHEMBL21044419 0.70 PIM2 (0.51) PIM1PIM2PIM3CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIM1 1525/4885PIM2 2031/4885PIM3 2231/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIM1 1525/4885PIM2 2031/4885PIM3 2231/4885

“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.