SCHEMBL701224

SCHEMBL701224

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.47
CAMK2D Q13557 1/20 0.46
HDAC1 Q13547 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
JAK2 O60674 2/20 0.43
NCOR1 O75376 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTK2 Q05397 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
INSR P06213 1/20 0.42
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
SRC P12931 2/20 0.40
ZAP70 P43403 2/20 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
SCHEMBL7974201 0.92 IGF1R (0.46) IGF1RCAMK2DPTK2CCNT1CDK9
SCHEMBL7963827 0.92 CCNT1 (0.51) IGF1RCAMK2DCCNT1CDK9INSR
SCHEMBL10252084 0.89 CAMK2D (0.48) CAMK2DHDAC1HDAC3HDAC2HDAC6
SCHEMBL699814 0.89 CDK2 (0.51) IGF1RCAMK2DHDAC1HDAC3HDAC2
SCHEMBL700320 0.88 HDAC1 (0.53) IGF1RHDAC1HDAC3HDAC2HDAC6
SCHEMBL699211 0.86 CAMK2D (0.46) CAMK2DHDAC1HDAC3HDAC2HDAC6
SCHEMBL699287 0.85 CAMK2D (0.45) CAMK2DHDAC1HDAC3HDAC2HDAC6
SCHEMBL701093 0.85 IGF1R (0.42) IGF1RINSREGFRERBB2SRC
SCHEMBL7975185 0.84 INSR (0.42) IGF1RHDAC1HDAC3HDAC2HDAC6
SCHEMBL700863 0.84 CAMK2D (0.55) IGF1RCAMK2DHDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 IGF1R 1719/4885CAMK2D 487/4885HDAC1 1/4885

“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.