SCHEMBL4514465

SCHEMBL4514465

CN1CCC(NC(=O)c2ccc(Br)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
KMT2A Q03164 2/20 0.51
USP30 Q70CQ3 1/20 0.49
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAF1 P21675 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
DGAT1 O75907 1/20 0.44

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
SCHEMBL3343302 0.87 HPGD (0.55) HRH3KMT2AUSP30ALDH1A1NPC1
SCHEMBL18010687 0.85 ACKR3 (0.55) ACKR3HRH3KMT2ACDK1CDK2
SCHEMBL1781864 0.85 ACKR3 (0.55) ACKR3HRH3KMT2ACDK1CDK2
SCHEMBL31495198 0.85 KMT2A (0.52) KMT2AUSP30ALDH1A1NPC1RAB9A
SCHEMBL16935503 0.85 RAB9A (0.51) KMT2AUSP30ALDH1A1NPC1LMNA
SCHEMBL3343582 0.85 NPC1 (0.55) KMT2AUSP30ALDH1A1NPC1LMNA
SCHEMBL26170021 0.84 KMT2A (0.51) ACKR3KMT2ADYRK1ANPC1RAB9A
SCHEMBL506741 0.83 NPC1 (0.57) KMT2AALDH1A1NPC1LMNAGAA
SCHEMBL27261779 0.83 KMT2A (0.50) ACKR3KMT2ATAF1CECR2BRD9
SCHEMBL3544000 0.82 ACKR3 (0.45) ACKR3KMT2AUSP30WNT1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 ACKR3 4525/4885HRH3 550/4885KMT2A 329/4885

“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.