SCHEMBL17406847

SCHEMBL17406847

FC(F)(F)c1cn(Cc2ccncc2)c2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FLT1 P17948 3/20 0.34
▸ KDR P35968 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ YTHDC1 Q96MU7 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL17394766 0.88 MEN1 (0.48) HDAC6MEN1NR2F2KMT2AP2RX7
SCHEMBL17406855 0.87 HDAC6 (0.39) HDAC6MEN1NR2F2KMT2AFGFR1
SCHEMBL17406839 0.87 GRIN2B (0.43) MEN1NR2F2KMT2AABL1BCR
SCHEMBL17406906 0.86 RET (0.40) MEN1KMT2AKDRABL1BCR
SCHEMBL17406846 0.83 ABL1 (0.47) HDAC6KDRABL1BCRP2RX7
SCHEMBL16235957 0.80 ADK (0.40) HDAC6MEN1NR2F2KMT2AYTHDC1
SCHEMBL17406854 0.78 MEN1 (0.45) MEN1KMT2AYTHDC1P2RX7SLC29A1
SCHEMBL17394764 0.74 ADORA2A (0.52) KDRABL1KDM4EMAPK1P2RX7
SCHEMBL17406909 0.73 RPS6KB1 (0.41) KDM4EMAPK1P2RX7SRC
SCHEMBL17406857 0.73 SIGMAR1 (0.41) SIGMAR1

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-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 — — US disclosed
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 — — US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 — — US disclosed
US-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NORTHWESTERN UNIVERSITY (US) 2016-01-07 — — 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 (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-20160002252-A1 SUBSTITUTED PYRROLO[2,3-d]PYRIMIDINES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS DPYD, TYMP, TYMS HDAC6 2710/4885MEN1 3694/4885NR2F2 1980/4885

“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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