SCHEMBL12907690

SCHEMBL12907690

Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.64
BACE1 P56817 5/20 0.61
CYP2C19 P33261 6/20 0.60
CYP1A2 P05177 6/20 0.60
CYP2D6 P10635 5/20 0.60
CLK4 Q9HAZ1 5/20 0.60
CYP3A4 P08684 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 4/20 0.60
TSHR P16473 2/20 0.60
USP2 O75604 3/20 0.58
CYP2C9 P11712 3/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 1/20 0.55
THRB P10828 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL2305280 0.89 TP53 (0.74) TP53MAPTLMNABACE1CYP2C19
SCHEMBL12907698 0.88 CYP2D6 (0.55) TP53MAPTLMNAPOLBBACE1
SCHEMBL4665854 0.86 BACE1 (0.60) TP53MAPTLMNAPOLBBACE1
SCHEMBL12907704 0.86 ABL1 (0.70) TP53MAPTLMNAPOLBBACE1
SCHEMBL25482387 0.85 TP53 (0.55) TP53MAPTLMNAPOLBBACE1
SCHEMBL4666194 0.84 TP53 (0.61) TP53MAPTBACE1CYP2C19CYP1A2
SCHEMBL12907691 0.84 CYP3A4 (0.58) TP53MAPTLMNAPOLBBACE1
SCHEMBL5923900 0.84 TRPV1 (0.65) TP53MAPTLMNABACE1CYP2C19
SCHEMBL12907708 0.84 BACE1 (0.57) TP53MAPTLMNAPOLBBACE1
SCHEMBL12907685 0.82 MAPT (0.58) TP53MAPTLMNACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 US 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-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS ABL1, BCR, MCL1 TP53 15/4885MAPT 4166/4885LMNA 4250/4885

“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.