SCHEMBL14596555

SCHEMBL14596555

Nc1cc2nc(-c3ccccc3)ccc2c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 3/20 0.54
▸ ACHE P22303 1/20 0.50
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ ASIC3 Q9UHC3 1/20 0.47
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ DCPS Q96C86 1/20 0.43
▸ LIMK1 P53667 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42

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
SCHEMBL13040779 0.71 NLRP3 (0.61) DHFRADORA2AADORA1ASIC3ALDH1A1
SCHEMBL9605513 0.70 DHFR (1.00) DHFRADORA2AADORA1AURKAPDPK1
SCHEMBL28411462 0.70 MAPT (0.44) DHFRMAPTAURKAPDPK1TGFBR1
SCHEMBL29565779 0.70 MAPT (0.44) DHFRMAPTAURKAPDPK1TGFBR1
SCHEMBL31350456 0.69 ALDH1A1 (0.48) ADORA2AADORA1ASIC3MEN1KMT2A
SCHEMBL20809298 0.69 PSMB5 (0.59) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL14511003 0.69 KDM4E (0.54) DHFRADORA2AADORA1MEN1KMT2A
SCHEMBL29746405 0.68 KMT2A (0.62) ACHEADORA2AADORA1ASIC3MEN1
SCHEMBL2238517 0.68 KMT2A (0.62) ACHEADORA2AADORA1ASIC3MEN1
SCHEMBL13888558 0.68 DHFR (0.93) DHFRADORA2AADORA1AURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — 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-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP DHFR 522/4885ACHE 4329/4885ADORA2A 1864/4885

“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.

Send feedback