SCHEMBL4076364

SCHEMBL4076364

O=C(c1cncc(Br)c1)c1c[nH]c2ncnc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTT P42858 4/20 0.42
ALOX15 P16050 1/20 0.42
NTRK1 P04629 1/20 0.41
CHEK1 O14757 1/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
BTK Q06187 4/20 0.37
LRRK2 Q5S007 1/20 0.37
EGFR P00533 1/20 0.37
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL2024785 0.77 BTK (0.58) CHEK1BTK
SCHEMBL4076506 0.74 NTRK1 (0.45) HTTALOX15NTRK1RAB9APOLB
SCHEMBL155227 0.72 CHEK1 (0.54) CHEK1SMN1; SMN2CYP3A4CYP2C19BTK
SCHEMBL157260 0.72 CHEK1 (0.54) CHEK1CYP3A4CYP2C19BTKLRRK2
SCHEMBL179562 0.72 CHEK1 (0.54) CHEK1CYP3A4CYP2C19BTKJAK2
SCHEMBL19910762 0.72 BTK (0.48) BTK
SCHEMBL4086378 0.71 NTRK1 (0.52) NTRK1
SCHEMBL12777831 0.71 MAP3K7 (0.56) CHEK1CYP3A4CYP2C19BTKLRRK2
SCHEMBL19898773 0.71 BTK (0.63) BTK
SCHEMBL19898256 0.70 BTK (0.64) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773836-B1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PROD INC (US) 2012-09-05 EP disclosed
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US disclosed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP disclosed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US disclosed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 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-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment TP53, DPYD, CCNT1 KDM4E 1322/4885HTT 3768/4885ALOX15 3846/4885

“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.