SCHEMBL16608484

SCHEMBL16608484

Cc1nc(Br)cc2c(I)cn(C3CCN(C)CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
JAK1 P23458 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 1/20 0.30
CAMK2D Q13557 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL19114567 0.88 TOP2A (0.37) TOP2ATOP2BGAASMN1; SMN2ALOX15
SCHEMBL16608285 0.85 BRD4 (0.33) JAK1PRKCGPRKCBPRKCAPRKCH
SCHEMBL19114716 0.74 NSD3 (0.36) ALOX15JAK1
SCHEMBL20191342 0.69 DGAT1 (0.34) TOP2ATOP2B
SCHEMBL19626248 0.68 MAP3K14 (0.37) TOP2ATOP2BPRKCGPRKCBPRKCA
SCHEMBL30972386 0.67 PRKCG (0.36) ALOX15PRKCGPRKCBPRKCAPRKCH
SCHEMBL24723066 0.63 ALOX15 (0.36) GAASMN1; SMN2ALOX15
SCHEMBL16608663 0.62 OPRM1 (0.33)
SCHEMBL31536149 0.59 KDM4E (0.41) SMN1; SMN2
SCHEMBL14588562 0.59 GAA (0.41) GAASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
EP-3049412-B1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-08-11 US disclosed
US-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-08-11 US disclosed
WO-2015044269-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 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-20160229851-A1 NEW 3-(1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K13 TOP2A 4665/4885TOP2B 4683/4885GAA 3234/4885

“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.