SCHEMBL15974992

SCHEMBL15974992

O=C(O)N1CC(Nc2nc(Cl)ncc2[N+](=O)[O-])C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.50
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
TRPV1 Q8NER1 1/20 0.37
CDK2 P24941 1/20 0.37
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17388662 1.00 PIN1 (0.50) PIN1ABL1BCRPOLBTDP1
SCHEMBL19665640 0.91 HSD11B1 (0.47) PIN1ABL1BCRPOLBTDP1
SCHEMBL14841407 0.89 PIN1 (0.45) PIN1ABL1BCRHSD11B1GSK3B
SCHEMBL17388653 0.89 PIN1 (0.45) PIN1ABL1BCRHSD11B1GSK3B
SCHEMBL1784631 0.88 PIN1 (0.48) PIN1ABL1BCRPOLBTDP1
SCHEMBL15974579 0.83 PIN1 (0.41) PIN1POLBHSD11B1KMT2AMAPT
SCHEMBL1804937 0.82 PIN1 (0.56) PIN1GSK3BGSK3ACDK2KMT2A
SCHEMBL17649495 0.81 PIN1 (0.50) PIN1POLBTDP1L3MBTL1GSK3B
SCHEMBL20837955 0.81 PIN1 (0.50) PIN1POLBTDP1L3MBTL1GSK3B
SCHEMBL19666697 0.81 PIN1 (0.50) PIN1POLBTDP1L3MBTL1GSK3B

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-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 US disclosed
WO-2014130693-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-08-28 WO 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-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PIN1 2265/4885ABL1 6/4885BCR 23/4885

“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.