SCHEMBL5655780

SCHEMBL5655780

Nc1c(F)ccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CLK1 P49759 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
HASPIN Q8TF76 4/20 0.40
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PRKCZ Q05513 1/20 0.38
HTT P42858 1/20 0.38
CDK4 P11802 1/20 0.38

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
SCHEMBL29986726 0.79 IMPDH2 (0.46) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL31552249 0.76 IMPDH2 (0.61) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL1705034 0.76 IMPDH2 (0.61) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL3716490 0.76 IMPDH2 (0.61) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL30481278 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7842033 0.76 ERN1 (0.56) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6832863 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4829442 0.76 IMPDH2 (0.52) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL5658470 0.76 IMPDH2 (0.47) IMPDH2MAPTLMNACYP1A2CYP3A4
SCHEMBL6622525 0.76 IMPDH2 (0.47) IMPDH2LMNACYP1A2CYP3A4CYP2D6

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-115055128-A Preparation method of cyclopropyl-substituted nitrogen-containing six-membered heterocyclic compound 北京六合宁远医药科技股份有限公司 2022-09-16 CN claimed
CN-115055128-A Preparation method of cyclopropyl-substituted nitrogen-containing six-membered heterocyclic compound 北京六合宁远医药科技股份有限公司 2022-09-16 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 3396/4885MAPT 4195/4885LMNA 2921/4885

“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.