SCHEMBL17449507

SCHEMBL17449507

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
AKR1B10 O60218 7/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ELANE P08246 1/20 0.35
HSD17B13 Q7Z5P4 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAD52 P43351 1/20 0.34

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) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL17449505 0.88 HSD17B13 (0.39) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL17449523 0.87 ELANE (0.42) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL15840332 0.80 PDE3B (0.35) HPGDCYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL15840328 0.79 AKR1B10 (0.38) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL17449514 0.79 CYP1A2 (0.37) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL17449521 0.79 ACSS2 (0.41) HPGDAKR1B10CYP1A2CYP3A4CYP2C19
SCHEMBL15840333 0.75 KDM4E (0.39) HPGDCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL16310703 0.71 MPO (0.40) HPGDAKR1B10KDM4EALDH1A1HTT
SCHEMBL15840325 0.69 PARP1 (0.35) HPGDKDM4EHSD17B13HSD17B10TSHR

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 HPGD 3137/4885AKR1B10 1640/4885CYP1A2 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.