SCHEMBL17449505

SCHEMBL17449505

CCn1c(C)nc2c(C)ccc(F)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 8/20 0.39
HPGD P15428 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1B10 O60218 5/20 0.35
ELANE P08246 2/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17449511 0.91 HPGD (0.40) HSD17B13HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL17449507 0.88 HPGD (0.38) HSD17B13HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL17449523 0.87 ELANE (0.42) HSD17B13HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL15840305 0.80 PDE7A (0.33) HSD17B13HPGDALDH1A1KDM4EELANE
SCHEMBL15840328 0.76 AKR1B10 (0.38) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17449521 0.76 ACSS2 (0.41) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17449514 0.76 CYP1A2 (0.37) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL15840333 0.72 KDM4E (0.39) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL16310703 0.71 MPO (0.40) HPGDALDH1A1KDM4EAKR1B10MAPT
SCHEMBL15840325 0.69 PARP1 (0.35) HSD17B13HPGDKDM4E

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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 HSD17B13 1309/4885HPGD 3137/4885CYP1A2 1728/4885

“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.