Sugi Predict

Sugi Predict / Compounds / SCHEMBL5658470

SCHEMBL5658470

SCHEMBL5658470

Nc1c(C(F)(F)F)ccc2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CLK1 P49759 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29964222 1.00 IMPDH2 (0.47) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6644857 0.86 CLK1 (0.45) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4019488 0.83 KDM4E (0.62) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29964112 0.79 KDM4E (0.46) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28495531 0.79 IMPDH2 (0.56) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28489641 0.79 KDM4E (0.46) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5655780 0.76 IMPDH2 (0.52) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28503957 0.75 MAOA (0.41) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL11137238 0.74 KDM4E (0.58) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4076480 0.73 HSD17B10 (0.68) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 — — CN disclosed
CN-112094229-A Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2020-12-18 — — CN disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 — — US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 — — US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 — — EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 — — 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 IMPDH2 3396/4885LMNA 2921/4885CYP1A2 464/4885

“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.