SCHEMBL9965322

SCHEMBL9965322

Cc1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.38
PIM1 P11309 1/20 0.36
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
JAK2 O60674 3/20 0.34
TYK2 P29597 3/20 0.34
GRM5 P41594 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
LMNA P02545 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
SOS2 Q07890 1/20 0.30

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
SCHEMBL9938767 0.82 NR4A2 (0.36) NR4A2NOS3NOS2LMNASOS2
SCHEMBL20124521 0.81 PIM1 (0.31) PIM1
SCHEMBL1702732 0.81 XPO1 (0.45) NR4A2NOS3NOS2JAK2TYK2
SCHEMBL9942467 0.80 PIK3CA (0.38) PIK3C3
SCHEMBL25942133 0.80
SCHEMBL9972431 0.79 KARS1 (0.45) NR4A2PIM1NOS3NOS2CDK9
SCHEMBL9939693 0.75 NPC1 (0.42)
SCHEMBL20124470 0.71 PIM1 (0.38) NR4A2PIM1NOS3NOS2LMNA
SCHEMBL20913324 0.71 ALDH1A1 (0.41) NR4A2NOS3NOS2GRM5SOS2
SCHEMBL9965317 0.71 NOS3 (0.42) NR4A2PIM1NOS3NOS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP 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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 NR4A2 384/4885PIM1 3423/4885CCNE1 596/4885

“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.