SCHEMBL5457714

SCHEMBL5457714

Nc1cnc2c(c1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD44 P16070 2/20 0.37
ASIC3 Q9UHC3 2/20 0.36
HTR2C P28335 2/20 0.35
PNMT P11086 5/20 0.35
MAOB P27338 1/20 0.35
PKN2 Q16513 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
Hydrochloric Acid SCHEMBL29043387 0.98 CYP3A4 (0.39) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL29639953 0.78 PNMT (0.41) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL14637150 0.78 HTR2C (0.40) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL30014903 0.78 HTR2C (0.40) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL722943 0.78 PNMT (0.50) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL29883454 0.78 PNMT (0.50) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL13226202 0.78 MB (0.40) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL694665 0.78 PNMT (0.50) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL4407148 0.78 PNMT (0.41) CYP3A4POLBSMN1; SMN2CD44ASIC3
SCHEMBL29727983 0.78 PNMT (0.50) CYP3A4POLBSMN1; SMN2CD44ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116460017-B Sheet metal part surface protective paint coating process 上海槎南工贸发展有限公司 2023-10-13 CN claimed
CN-116460017-A Sheet metal part surface protective paint coating process 上海槎南工贸发展有限公司 2023-07-21 CN claimed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-07-17 US disclosed
CN-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 CN disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
CN-116460017-B Sheet metal part surface protective paint coating process 上海槎南工贸发展有限公司 2023-10-13 CN disclosed
CN-116460017-A Sheet metal part surface protective paint coating process 上海槎南工贸发展有限公司 2023-07-21 CN disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
WO-2020056008-A1 COMPOSITIONS FOR THE TREATMENT OF DISEASE WITH IMMUNE STIMULATORY CONJUGATES SILVERBACK THERAPEUTICS, INC. (US) 2020-03-19 WO disclosed
WO-2019118884-A1 ANTIBODY CONSTRUCT-DRUG CONJUGATE FOR THE TREATMENT OF HEPATITIS SILVERBACK THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed
EP-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
WO-2008149163-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-12-11 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 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 (5 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 CYP3A4 105/4885POLB 2208/4885SMN1; SMN2 4520/4885
US-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 CYP3A4 2881/4885POLB 1999/4885SMN1; SMN2 3906/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 CYP3A4 3775/4885POLB 2503/4885SMN1; SMN2 3998/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 CYP3A4 4565/4885POLB 4199/4885SMN1; SMN2 4332/4885
US-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM5, CHRM4, CHRM1 CYP3A4 635/4885POLB 2781/4885SMN1; SMN2 1650/4885

“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.