SCHEMBL4801949

SCHEMBL4801949

Cn1cnc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
NSD3 Q9BZ95 1/20 0.50
PTGS2 P35354 2/20 0.45
NTRK1 P04629 1/20 0.45
LMNA P02545 2/20 0.44
APOBEC3A P31941 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4C Q9H3R0 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM2B Q8NHM5 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT1 P17948 3/20 0.40
KDM5A P29375 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
TEK Q02763 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12727152 0.88 KDR (0.53) KDRNSD3PTGS2NTRK1LMNA
SCHEMBL4796730 0.86 KDR (0.52) KDRNSD3PTGS2NTRK1LMNA
SCHEMBL29201007 0.86 DHODH (0.45) KDRLMNAKDM4CKDM2BALDH1A1
SCHEMBL14710604 0.85 KDM4C (0.43) KDRNSD3KDM4CMEN1KMT2A
SCHEMBL12457299 0.80 NSD2 (0.40) KDRAPOBEC3ACTDSP1APOBEC3GKDM4C
SCHEMBL20028095 0.80 SMN1; SMN2 (0.55) KDRLMNAMEN1KMT2AKDM4E
SCHEMBL461493 0.79 DHODH (0.41) KDRAPOBEC3ACTDSP1APOBEC3GKDM4C
SCHEMBL4802244 0.78 PTGS2 (0.53) KDRPTGS2LMNAMEN1KMT2A
SCHEMBL12727149 0.78 POLB (0.51) KDRNSD3LMNAAPOBEC3AMEN1
SCHEMBL19840109 0.78 KMT2A (0.50) KDRLMNAAPOBEC3AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
CN-103003262-A Nitrogenated aromatic heterocyclic ring derivative KYOWA HAKKO KIRIN CO LTD 2013-03-27 CN disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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 (4 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDR 4332/4885NSD3 3321/4885PTGS2 1851/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KDR 4651/4885NSD3 2558/4885PTGS2 2019/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDR 4332/4885NSD3 3321/4885PTGS2 1851/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR KDR 3/4885NSD3 978/4885PTGS2 899/4885

“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.