SCHEMBL4937147

SCHEMBL4937147

c1cnc2ncnnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TGFBR1 P36897 1/20 0.33
MAPK14 Q16539 1/20 0.32
NUDT1 P36639 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL1285336 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMAPK14NUDT1
SCHEMBL16878626 0.74
SCHEMBL29358342 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTBCHEACHE
SCHEMBL88611 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTBCHEACHE
SCHEMBL29408294 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTBCHEACHE
SCHEMBL17511866 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK14NUDT1
SCHEMBL88615 0.70 EGFR (0.41) ALDH1A1KDM4EMAPTMAPK14ACHE
SCHEMBL29599774 0.70 EGFR (0.41) ALDH1A1KDM4EMAPTMAPK14ACHE
Ethyne SCHEMBL27784530 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTBCHEACHE
Hydrochloric Acid SCHEMBL29733087 0.69 EGFR (0.39) ALDH1A1MAPTMAPK14ACHELMNA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN claimed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN claimed
EP-0145337-B1 ELECTROCHROMIC DEVICES CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1990-08-08 EP claimed
EP-0096723-B1 BATTERIES FABRICATED WITH ELECTROACTIVE POLYMERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1988-08-10 EP claimed
US-4613211-A REVERSE COLOR CHANGING POLYMER FILM AS DISPLAY ELECTRODE CHEVRON RESEARCH COMPANY (US) 1986-09-23 US claimed
US-4579679-A Electroactive polymers CHEVRON RESEARCH COMPANY (US) 1986-04-01 US claimed
EP-0145337-A2 Electrochromic devices CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-06-19 EP claimed
EP-0096723-A1 BATTERIES FABRICATED WITH ELECTROACTIVE POLYMERS. CHEVRON RES (US) 1983-12-28 EP claimed
WO-1983002368-A1 BATTERIES FABRICATED WITH ELECTROACTIVE POLYMERS CHEVRON RES (US) 1983-07-07 WO claimed
US-4324786-A SEDATIVES, ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 US claimed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
EP-2641288-B1 RECHARGEABLE METAL OR METAL-ION CELL SOLVAY (BE) 2016-08-17 EP disclosed
US-9203080-B2 Rechargeable metal or metal-ion cell SOLVAY SA (BE) 2015-12-01 US disclosed
US-4519937-A DOPED UNITS OF A FUSED NITROGEN-CONTAINING UNSATURATED HETEROCYCLIC RING CHEVRON RESEARCH COMPANY (US) 1985-05-28 US disclosed
US-4519938-A TRACTABLE, DOPED HETEROCYCLIC RINGS CHEVRON RESEARCH COMPANY (US) 1985-05-28 US disclosed
US-4324786-A SEDATIVES, ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 US disclosed
US-4324786-A SEDATIVES, ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 US disclosed
US-4324786-A SEDATIVES, ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 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 (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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 ALDH1A1 1587/4885KDM4E 3287/4885MAPT 1912/4885

“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.