SCHEMBL17067003

SCHEMBL17067003

CCn1nc(C(F)(F)F)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.46
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP11B1 P15538 1/20 0.41
SLC9A1 P19634 1/20 0.40
GLS O94925 1/20 0.39
MAPT P10636 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL14627435 0.84 SSTR4 (0.50) SSTR4SLC9A1GLSMAPTPDE4A
SCHEMBL28947389 0.83 SSTR4 (0.49) SSTR4CYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL20371659 0.79 MAPT (0.40) MAPTALDH1A1ADORA2AADORA2BKDM4E
SCHEMBL14487623 0.79 HSD17B10 (0.61) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL15730345 0.77 POLB (0.51) SSTR4CYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL25759526 0.76 ELANE (0.49) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL25238141 0.74 CNR2 (0.41) SSTR4SLC9A1GLSPDE4APDE4B
SCHEMBL6090368 0.74 GLS (0.66) SLC9A1GLSMAPTPOLBALDH1A1
SCHEMBL17322911 0.74 HSD17B10 (0.64) CYP2C9MAPTPDE4APDE4BPDE4C
SCHEMBL2899658 0.73 ALOX15 (0.49) SSTR4SLC9A1GLSMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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 (2 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN SSTR4 4512/4885CYP11B2 50/4885CYP19A1 564/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN SSTR4 4512/4885CYP11B2 50/4885CYP19A1 564/4885

“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.