SCHEMBL4987970

SCHEMBL4987970

Nc1ncnc2c1CCNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.38
DYRK1A Q13627 2/20 0.34
LIMK1 P53667 5/20 0.33
CHEK1 O14757 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
RET P07949 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
LTK P29376 2/20 0.33
GRK5 P34947 2/20 0.33
KDR P35968 2/20 0.33
CSNK1A1 P48729 2/20 0.33
CDK8 P49336 2/20 0.33
CDK7 P50613 2/20 0.33
RPS6KA3 P51812 2/20 0.33
CDK5 Q00535 2/20 0.33
TYRO3 Q06418 2/20 0.33
LRRK2 Q5S007 2/20 0.33

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
SCHEMBL4195565 0.86 DYRK1A (0.35) CD44DYRK1ALIMK1CHEK1DAPK3
Hydrochloric Acid SCHEMBL30170812 0.85 DYRK1A (0.34) CD44DYRK1ALIMK1CHEK1DAPK3
SCHEMBL29377698 0.85 CD44 (0.34) CD44DYRK1ALIMK1CHEK1DAPK3
SCHEMBL130588 0.85 CD44 (0.34) CD44DYRK1ALIMK1CHEK1DAPK3
SCHEMBL30611380 0.82 CYP1A2 (0.35) DYRK1ALIMK1CHEK1DAPK3PRKD3
SCHEMBL25678467 0.78 CYP1A2 (0.36) CD44KDRPNMTHTR2C
SCHEMBL31065827 0.78 PNMT (0.34) DYRK1ALIMK1CHEK1DAPK3PRKD3
SCHEMBL21036380 0.77 HTR2C (0.33) CD44PNMTHTR2CPARP1TNKS2
SCHEMBL17298716 0.77 KDM4E (0.33) CD44KDRPNMTHTR2CPARP1
SCHEMBL16034950 0.77 PNMT (0.41) CD44PNMTHTR2CPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-11999753-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2024-06-04 US disclosed
EP-4346806-A2 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
WO-2023244604-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-4262803-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
WO-2023033742-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-03-09 WO disclosed
WO-2023033741-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-03-09 WO disclosed
EP-4110778-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-01-04 EP disclosed
EP-3841102-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-06-30 EP disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 WO disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
EP-1713807-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
WO-2005070929-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-04 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 (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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 CD44 4631/4885DYRK1A 3269/4885LIMK1 3676/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 CD44 2006/4885DYRK1A 4013/4885LIMK1 1960/4885
US-11999753-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors KRAS, NRAS, HRAS CD44 4529/4885DYRK1A 784/4885LIMK1 2802/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CD44 3892/4885DYRK1A 2415/4885LIMK1 1563/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CD44 3892/4885DYRK1A 2415/4885LIMK1 1563/4885

“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.