SCHEMBL10275908

SCHEMBL10275908

O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.56
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ELANE P08246 2/20 0.50
CETP P11597 1/20 0.48
MAPT P10636 2/20 0.48
C1R P00736 3/20 0.48
NOTUM Q6P988 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6567250 0.89 APEX1 (0.63) APEX1ALDH1A1KDM4EHPGDMEN1
SCHEMBL914337 0.87 APEX1 (0.53) APEX1F7F3ALDH1A1KDM4E
SCHEMBL14273715 0.86 KDM4E (0.58) APEX1F7F3ALDH1A1KDM4E
SCHEMBL10740589 0.85 F7 (0.60) APEX1F7F3ALDH1A1KDM4E
SCHEMBL6565952 0.82 APEX1 (0.59) APEX1ALDH1A1KDM4EHPGDMEN1
SCHEMBL11817024 0.81 ELANE (0.71) F7F3ALDH1A1KDM4EHPGD
SCHEMBL913296 0.79 ALDH1A1 (0.55) APEX1ALDH1A1KDM4EHPGDMEN1
SCHEMBL10276368 0.78 ALDH1A1 (0.53) F7F3ALDH1A1KDM4EHPGD
SCHEMBL914201 0.78 MEN1 (0.68) APEX1F7F3ALDH1A1KDM4E
SCHEMBL8070380 0.77 ELANE (0.62) APEX1F7F3ALDH1A1KDM4E

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 APEX1 537/4885F7 1310/4885F3 1336/4885

“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.