SCHEMBL18113798

SCHEMBL18113798

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccc(C3(C#N)CC3)cn2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAF1 P04049 4/20 0.32
▸ BRAF P15056 4/20 0.32
▸ KIT P10721 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PI4KB Q9UBF8 3/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PDE4A P27815 3/20 0.31
▸ PDE4B Q07343 3/20 0.31
▸ PDE4C Q08493 3/20 0.31
▸ PDE4D Q08499 3/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NCS1 P62166 1/20 0.30

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
SCHEMBL18113887 0.82 PI4KB (0.36) NPC1RAB9ARAF1BRAFPI4KB
SCHEMBL20481613 0.82 CFTR (0.35) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL18113812 0.81 PIK3CA (0.48) RAF1BRAFPIK3CA
SCHEMBL18113899 0.80 RAF1 (0.36) KDM4EMAPTRAF1BRAFPI4KB
SCHEMBL20481494 0.78 ADORA2A (0.46) MEN1KMT2API4KBNCS1
SCHEMBL18113801 0.78 NCS1 (0.36) KDM4EMAPTMEN1NPC1RAB9A
SCHEMBL18113904 0.76 POLQ (0.40) PI4KBABL1
SCHEMBL18113820 0.76 P2RY1 (0.47) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL18113893 0.76 NPC1 (0.38) KDM4EMAPTMEN1NPC1RAB9A
SCHEMBL18113881 0.76 PI4KB (0.36) NPC1RAB9API4KBNCS1POLB

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 KDM4E 4286/4885ALDH1A1 3440/4885LMNA 3905/4885

“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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