SCHEMBL15671663

SCHEMBL15671663

CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)n[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
METAP2 P50579 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
GRM4 Q14833 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
PIM1 P11309 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL1476570 0.89 PIM1 (0.35) KMT2AMITFALDH1A1TP53METAP2
SCHEMBL21504926 0.84 CCR1 (0.50) KMT2AHPGDTSHRALDH1A1TP53
SCHEMBL17251575 0.84 KMT2A (0.37) KMT2AMITFALDH1A1TP53METAP2
SCHEMBL15859055 0.80 PIM1 (0.38) KMT2AHPGDTSHRMEN1PIM1
SCHEMBL12210003 0.79 KMT2A (0.34) KMT2AMITFALDH1A1TP53METAP2
SCHEMBL2950568 0.79 HPGD (0.45) HPGDTSHRALDH1A1METAP2NPC1
SCHEMBL19098534 0.77 NOS3 (0.43) KMT2AALDH1A1METAP2MEN1PIM1
SCHEMBL15859021 0.77 KMT2A (0.41) KMT2AHPGDTSHRMITFALDH1A1
SCHEMBL15859023 0.77 HPGD (0.38) HPGDTSHR
SCHEMBL29453375 0.76 CCR1 (0.48) KMT2AHPGDTSHRALDH1A1METAP2

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-8722885-B1 Phosphorescent four-coordinated platinum (II) complex NATIONAL TSING HUA UNIVERSITY (TW) 2014-05-13 US disclosed
US-8722885-B1 Phosphorescent four-coordinated platinum (II) complex NATIONAL TSING HUA UNIVERSITY (TW) 2014-05-13 US disclosed
US-8722885-B1 Phosphorescent four-coordinated platinum (II) complex NATIONAL TSING HUA UNIVERSITY (TW) 2014-05-13 US disclosed
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-07 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-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR EDNRA, EDNRB, GLP1R KMT2A 4317/4885HPGD 2985/4885TSHR 238/4885

“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.