SCHEMBL694665

SCHEMBL694665

Clc1cnc2c(c1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.50
HTR2C P28335 5/20 0.40
HTR2B P41595 4/20 0.40
ASIC3 Q9UHC3 2/20 0.40
HTR2A P28223 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL29883454 1.00 PNMT (0.50) PNMTHTR2CHTR2BASIC3HTR2A
Hydrochloric Acid SCHEMBL14636603 0.98 PNMT (0.49) PNMTHTR2CHTR2BASIC3HTR2A
SCHEMBL13226202 0.81 MB (0.40) PNMTHTR2CASIC3CYP3A4POLB
SCHEMBL14637150 0.78 HTR2C (0.40) PNMTHTR2CHTR2BASIC3CYP3A4
SCHEMBL30014903 0.78 HTR2C (0.40) PNMTHTR2CHTR2BASIC3CYP3A4
SCHEMBL29727983 0.78 PNMT (0.50) PNMTHTR2CASIC3CYP3A4POLB
SCHEMBL5457714 0.78 CYP3A4 (0.40) PNMTHTR2CASIC3CYP3A4POLB
SCHEMBL4407148 0.78 PNMT (0.41) PNMTHTR2CHTR2BASIC3CYP3A4
SCHEMBL29639953 0.78 PNMT (0.41) PNMTHTR2CHTR2BASIC3CYP3A4
SCHEMBL722943 0.78 PNMT (0.50) PNMTHTR2CASIC3CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 CN disclosed
CN-114126620-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2022-03-01 CN disclosed
CN-113880866-A Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-01-04 CN disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 WO disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 PNMT 390/4885HTR2C 1498/4885HTR2B 1175/4885

“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.