SCHEMBL7989395

SCHEMBL7989395

CC(=O)c1c(C)nc2c(F)cccn12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GUCY1B2 O75343 15/20 0.47
GUCY1A2 P33402 15/20 0.47
GUCY1A1 Q02108 15/20 0.47
GUCY1B1 Q02153 15/20 0.47
CYP1A2 P05177 1/20 0.42

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
SCHEMBL29592784 0.84 ALDH1A1 (0.43) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL3551654 0.84 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6351874 0.81 KMT2A (0.56) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL14231688 0.81 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL24857397 0.80 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL7978626 0.79 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL7977505 0.78 TDP1 (0.49) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL2420946 0.76 KDM4E (0.54) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22152346 0.76 ATP4A (0.51) ALDH1A1SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL17018449 0.76 SMN1; SMN2 (0.56) KMT2AALDH1A1SMN1; SMN2GUCY1B2GUCY1A2

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 disclosed
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
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 KMT2A 216/4885ALDH1A1 2855/4885SMN1; SMN2 3263/4885

“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.