SCHEMBL11929486

SCHEMBL11929486

CN(C)C1CCCN(C(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cccnc6)cc5c34)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.43
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
CDK1 P06493 3/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
JAK1 P23458 1/20 0.40
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PIM1 P11309 3/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GHSR Q92847 1/20 0.38
CDK2 P24941 2/20 0.38

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
SCHEMBL11929481 0.96 ATR (0.47) ATRCHEK1ACHECDK1CDK4
SCHEMBL11929488 0.96 ATR (0.47) ATRCHEK1ACHECDK1CDK4
SCHEMBL473780 0.93 ATR (0.39) ATRCHEK1ACHECDK1CDK4
SCHEMBL473759 0.88 ATR (0.41) ATRCHEK1ACHECDK1CDK4
SCHEMBL13190687 0.86 PIM1 (0.48) CHEK1ACHEPIM1
SCHEMBL11908018 0.85 PIM1 (0.45) CHEK1ACHEPIM1ABL1BCR
SCHEMBL11909891 0.85 CHEK1 (0.55) CHEK1ACHEPIM1
SCHEMBL3723614 0.85 CHEK1 (0.39) CHEK1ACHEPIM1ABL1BCR
SCHEMBL12597821 0.84 TLR9 (0.44) ATRCDK1CDK4CCNB1CCND1
SCHEMBL11929463 0.84 RIPK1 (0.49) ATRCHEK1ACHEPIM1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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 (1 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 ATR 1875/4885CHEK1 1152/4885ACHE 4455/4885

“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.