SCHEMBL17406854

SCHEMBL17406854

COc1cccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ YTHDC1 Q96MU7 1/20 0.43
▸ LPO P22079 3/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ P2RX7 Q99572 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ADRA1D P25100 1/20 0.40

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
SCHEMBL17406846 0.88 ABL1 (0.47) LMNAMAPTALDH1A1P2RX7SDHB
SCHEMBL17394766 0.84 MEN1 (0.48) MEN1KMT2AP2RX7
SCHEMBL17406847 0.78 HDAC6 (0.37) MEN1KMT2AYTHDC1P2RX7SIGMAR1
SCHEMBL17406855 0.78 HDAC6 (0.39) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL17406839 0.78 GRIN2B (0.43) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL5458724 0.75 YTHDC1 (0.61) YTHDC1TP53RXFP1SLC29A1
SCHEMBL30910333 0.75 LPO (0.51) MEN1KMT2AYTHDC1LPOLMNA
SCHEMBL29246271 0.75 LPO (0.51) MEN1KMT2AYTHDC1LPOLMNA
SCHEMBL17406915 0.73 MEN1 (0.71) MEN1KMT2ALMNATP53MAPT
SCHEMBL17394764 0.71 ADORA2A (0.52) TSHRP2RX7

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 MEN1 3694/4885KMT2A 2515/4885YTHDC1 3548/4885

“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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