SCHEMBL17527397

SCHEMBL17527397

COc1ccc(CNc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 5/20 0.65
TTBK2 Q6IQ55 5/20 0.65
EGFR P00533 3/20 0.62
POLB P06746 2/20 0.62
NR2F2 P24468 1/20 0.62
HDAC6 Q9UBN7 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE5A O76074 1/20 0.56
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55
THRB P10828 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
OXTR P30559 1/20 0.54
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53

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
SCHEMBL24804993 0.83 HDAC6 (0.66) TTBK1TTBK2EGFRHDAC6HTT
SCHEMBL4354437 0.81 JAK2 (0.68) TTBK1TTBK2EGFRNR2F2HDAC6
SCHEMBL29123839 0.81 CYP1A2 (0.59) TTBK1TTBK2MEN1KMT2AKDM4E
SCHEMBL30598757 0.81 CYP1A2 (0.59) TTBK1TTBK2MEN1KMT2AKDM4E
SCHEMBL22346237 0.80 HDAC6 (0.62) TTBK1TTBK2EGFRNR2F2HDAC6
SCHEMBL2253412 0.80 EGFR (0.61) EGFRPOLBNR2F2HTTMEN1
Hydrochloric Acid SCHEMBL8888083 0.79 LMNA (0.67) EGFRPOLBNR2F2HTTMEN1
SCHEMBL723440 0.78 CDK1 (0.59) EGFRPOLBNR2F2HTTMEN1
SCHEMBL3112115 0.77 EGFR (1.00) EGFRPOLBNR2F2HTTMEN1
SCHEMBL24881479 0.76 TTBK1 (1.00) TTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712498-B Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors 鲁平有限公司 2023-09-29 CN disclosed
US-11014926-B2 Pyrrolo-, pyrazolo-, imidazo-pyrimidine and pyridine compounds that inhibit MNK1 and MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20190330216-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-10-31 US disclosed
EP-3368533-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 EP disclosed
WO-2017075412-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
WO-2017075412-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
US-20170121339-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS INC (US) 2017-05-04 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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-20190330216-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 NEK9, NEK2, TYK2 TTBK1 69/4885TTBK2 76/4885EGFR 2188/4885
US-20170121339-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 NEK9, NEK2, TYK2 TTBK1 65/4885TTBK2 76/4885EGFR 2155/4885
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK TTBK1 136/4885TTBK2 143/4885EGFR 124/4885
US-11014926-B2 Pyrrolo-, pyrazolo-, imidazo-pyrimidine and pyridine compounds that inhibit MNK1 and MNK2 NEK9, NEK2, TYK2 TTBK1 69/4885TTBK2 76/4885EGFR 2188/4885

“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.