SCHEMBL17406907

SCHEMBL17406907

Nc1ncnc2c1c(C(F)(F)F)cn2Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 3/20 0.41
▸ SRC P12931 3/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ HCK P08631 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ RET P07949 1/20 0.39
▸ PI4KA P42356 2/20 0.39
▸ PI4K2B Q8TCG2 2/20 0.39
▸ PI4K2A Q9BTU6 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ P2RX7 Q99572 2/20 0.39

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
SCHEMBL17394764 0.87 ADORA2A (0.52) PI4KBSRCPIK3CDPIK3CAPIK3CB
SCHEMBL17406839 0.86 GRIN2B (0.43) ABL1GRIN2BP2RX7CYP1A2CYP3A4
SCHEMBL17406906 0.85 RET (0.40) PI4KBSRCPIK3CDABL1KDR
SCHEMBL16236697 0.82 DYRK3 (0.48) PI4KBSRCPIK3CDPIK3CAPIK3CB
SCHEMBL17406909 0.81 RPS6KB1 (0.41) PI4KBSRCRETPI4KAPI4K2B
SCHEMBL17394766 0.73 MEN1 (0.48) PI4KBSRCRETPI4KAPI4K2B
SCHEMBL17406847 0.72 HDAC6 (0.37) SRCABL1KDRP2RX7BCR
SCHEMBL3832902 0.70 ALDH1A1 (0.47) PI4KBSRCPIK3CDPIK3CAPIK3CB
SCHEMBL16236981 0.70 KDM4C (0.41) GRIN2BALDH1A1PKMCYP11B1MAPK1
SCHEMBL17406879 0.67 KDM4E (0.59) PI4KBSRCPIK3CDPIK3CAPIK3CB

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 PI4KB 987/4885SRC 1909/4885PIK3CD 684/4885

“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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