SCHEMBL12536680

SCHEMBL12536680

Cn1ncc2c(O)ccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
CCR4 P51679 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
NSD2 O96028 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL256212 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31175304 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL30303232 0.77 CCR4 (0.49) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL30324182 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL20030782 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL129887 0.77 CCR4 (0.49) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL889766 0.77 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL2822778 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4151873 0.77 XDH (0.46) MAPTMEN1KMT2AHPGD
SCHEMBL21816207 0.75 KDM5A (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases ARRAY BIOPHARMA INC. (US) 2023-10-10 US disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 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 (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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B PI4KA 425/4885PI4K2B 385/4885PI4K2A 448/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK PI4KA 418/4885PI4K2B 574/4885PI4K2A 707/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 PI4KA 511/4885PI4K2B 787/4885PI4K2A 921/4885
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases RET, MERTK, MET PI4KA 154/4885PI4K2B 252/4885PI4K2A 374/4885

“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.