SCHEMBL16236581

SCHEMBL16236581

CN1CCC(n2cc(I)c3c(Cl)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.49
▸ SLC29A1 Q99808 1/20 0.45
▸ HTR6 P50406 8/20 0.40
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL16236759 0.93 ADK (0.47) ADKSLC29A1HTR6
SCHEMBL18044685 0.92 ADK (0.51) ADKSLC29A1MTORRAB9A
SCHEMBL6866845 0.88 ADK (0.47) ADKSLC29A1MTORRAB9A
SCHEMBL20351805 0.88 ADK (0.47) ADKSLC29A1HTR6
SCHEMBL16236916 0.85 MTOR (0.50) ADKMTORRAB9A
SCHEMBL16236390 0.83 ADK (0.54) ADKSLC29A1MTORRAB9A
SCHEMBL29484542 0.83 ADK (0.54) ADKSLC29A1MTORRAB9A
SCHEMBL6866005 0.82 ADK (0.47) ADKSLC29A1
SCHEMBL2969987 0.82 ADK (0.47) ADKSLC29A1
SCHEMBL2969985 0.82 ADK (0.47) ADKSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2997030-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 — — EP 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 ADK 64/4885SLC29A1 1578/4885HTR6 2529/4885

“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.

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