SCHEMBL17449522

SCHEMBL17449522

CCn1c(C)nc2c(C(F)F)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TNF P01375 2/20 0.37
▸ LITAF Q99732 2/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL15840317 0.81 SOS1 (0.37) KDM4EKRASSOS1
SCHEMBL27291394 0.78 HPGD (0.47) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL15840311 0.78 CYP1A2 (0.43) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL17449524 0.75 HPGD (0.44) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL15801420 0.73 PDE7A (0.49) MEN1KMT2ATSHRPDE4BPDE4D
SCHEMBL15519458 0.71 MEN1 (0.38) HPGDCYP1A2CYP2C19MEN1KMT2A
SCHEMBL8347824 0.71 MEN1 (0.68) CYP1A2MEN1KMT2ATSHRKDM4E
SCHEMBL13833572 0.70 CASR (0.48) MEN1KMT2ATSHRPDE4BPDE4D
SCHEMBL15836393 0.69 GAA (0.33) GAAMAPTKRASSOS1
SCHEMBL20404387 0.68 PARP1 (0.64) HPGDCYP1A2CYP2C19KDM4EGAA

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 3137/4885CYP1A2 1728/4885CYP3A4 1589/4885

“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.

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