SCHEMBL11977009

SCHEMBL11977009

CC(C)c1cccc(OCCn2ccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.63
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL18737490 0.94 KMT2A (0.70) TSHRKMT2AALDH1A1KDM4EHTT
SCHEMBL13439724 0.83 KDM4E (0.56) TSHRKMT2AALDH1A1KDM4EPOLB
SCHEMBL12382 0.82 KMT2A (0.87) TBXAS1TSHRKMT2AALDH1A1KDM4E
SCHEMBL9451380 0.80 TBXAS1 (0.68) TBXAS1TSHRKMT2AALDH1A1KDM4E
SCHEMBL1928520 0.80 TBXAS1 (0.68) TBXAS1TSHRKMT2AALDH1A1KDM4E
SCHEMBL3581172 0.80 ALDH1A1 (0.85) TBXAS1TSHRKMT2AALDH1A1KDM4E
SCHEMBL30268309 0.80 KMT2A (0.50) TBXAS1TSHRALOX15KMT2AALDH1A1
SCHEMBL12449599 0.79 TBXAS1 (0.63) TBXAS1TSHRKMT2AALDH1A1KDM4E
SCHEMBL10370478 0.78 TBXAS1 (1.00) TBXAS1KMT2AALDH1A1KDM4E
SCHEMBL8685441 0.78 TBXAS1 (0.70) TBXAS1KMT2AALDH1A1KDM4EPOLB

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
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (2 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP TBXAS1 1603/4885TSHR 4367/4885ALOX15 2682/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP TBXAS1 1603/4885TSHR 4367/4885ALOX15 2682/4885

“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.