SCHEMBL16254751

SCHEMBL16254751

Nc1ncnc2[nH]cc(C#Cc3cccc(NC(=O)c4cccc(Cl)c4)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.48
BCR P11274 8/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
BRAF P15056 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
LCK P06239 1/20 0.46
TEK Q02763 1/20 0.46
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
KCNQ5 Q9NR82 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL17818381 0.91 KDR (0.56) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16237017 0.90 ABL1 (0.49) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16254861 0.89 ABL1 (0.50) ABL1BCRBRAFKCNK3KCNK9
SCHEMBL16254824 0.89 KDR (0.50) ABL1BCRPOLBBRAFPDGFRB
SCHEMBL16236051 0.88 ABL1 (0.49) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16254781 0.86 KDR (0.54) ABL1BCRALDH1A1POLBBRAF
SCHEMBL16254733 0.86 ABL1 (0.66) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16254783 0.86 KDR (0.46) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16254734 0.86 KDR (0.50) ABL1BCRBRAFPDGFRBKDR
SCHEMBL16236489 0.86 ABL1 (0.49) ABL1BCRBRAFPDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP claimed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US claimed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US claimed
CN-105602254-A Conductive rubber material WUXI ZHIGU RUITUO TECH SERVICES CO LTD 2016-05-25 CN claimed
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
CN-105694462-A Preparation method of conductive rubber material 无锡智谷锐拓技术服务有限公司 2016-06-22 CN disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
CN-105602254-A Conductive rubber material WUXI ZHIGU RUITUO TECH SERVICES CO LTD 2016-05-25 CN disclosed
WO-2014184069-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-20 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 ABL1 159/4885BCR 1051/4885ALDH1A1 2766/4885

“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.