SCHEMBL12985352

SCHEMBL12985352

NC(=O)Cn1ccc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
P4HTM Q9NXG6 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL10439196 0.80 KMT2A (0.46) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL12985011 0.78 HDAC3 (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23202504 0.77 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31096548 0.77 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19121442 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28622399 0.73 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5216458 0.73 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31708421 0.73 LMNA (0.42) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28655105 0.72 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL20448088 0.72 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK KDM4E 1866/4885LMNA 2709/4885CCR1 1992/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK KDM4E 1866/4885LMNA 2709/4885CCR1 1992/4885

“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.