SCHEMBL16041244

SCHEMBL16041244

Clc1ccnc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.59
PIM1 P11309 1/20 0.59
CDK9 P50750 1/20 0.59
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
CCNB2 O95067 2/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
EGFR P00533 5/20 0.47
MAPK14 Q16539 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL31240593 1.00 CDC7 (0.59) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240848 0.87 CDC7 (0.59) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL30570949 0.86 CDC7 (0.52) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240688 0.83 CDK9 (0.50) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240751 0.83 CCNB2 (0.61) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240696 0.83 PRMT5 (0.65) CDC7PIM1CDK9
SCHEMBL31240729 0.82 CD74 (0.50) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240680 0.81 CCNB2 (0.58) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240791 0.81 CDC7 (0.53) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL1777011 0.80 CDC7 (0.56) CDC7PIM1CDK9CCNB2CDK1

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
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 WO disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 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 (2 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDC7 136/4885PIM1 371/4885CDK9 1/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDC7 149/4885PIM1 936/4885CDK9 1/4885

“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.