SCHEMBL17406924

SCHEMBL17406924

COCCn1c(C)c(C)c2c(Cl)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ NR2F2 P24468 2/20 0.58
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL17406851 0.82 KMT2A (0.55) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406901 0.82 MAPK1 (0.57) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406919 0.75 NR2F2 (0.53) KMT2AMEN1NR2F2NPC1HSD17B10
SCHEMBL2464129 0.73 MEN1 (1.00) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL20351726 0.73 ADK (0.40) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL3169179 0.72 NR2F2 (0.50) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406918 0.71 KMT2A (0.75) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406915 0.71 MEN1 (0.71) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406921 0.70 MEN1 (0.54) KMT2AMEN1NR2F2RAB9ANPC1
SCHEMBL17406849 0.70 MEN1 (0.47) KMT2AMEN1NR2F2RAB9ANPC1

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 KMT2A 2515/4885MEN1 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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