SCHEMBL12769723

SCHEMBL12769723

CC(C)(C)c1cccn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NOTUM Q6P988 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
COMT P21964 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22339813 0.79 CYP2A6 (0.50) ALDH1A1CYP3A4
SCHEMBL20867730 0.78 ATM (0.44) ATMDDB1CRBNALDH1A1NOTUM
SCHEMBL19398118 0.72 ATM (0.43) ATMDDB1CRBNALDH1A1NOTUM
SCHEMBL17911735 0.71 MAPK14 (0.46) ATMALDH1A1NOTUMMAPTCYP1A2
SCHEMBL16658997 0.71 ATM (0.41) ATMDDB1CRBNALDH1A1NOTUM
SCHEMBL10183098 0.71 HSP90AA1 (0.41) ALDH1A1CYP3A4LOX
SCHEMBL17918817 0.70 GSK3A (0.43) ATMALDH1A1NOTUMMAPTMEN1
SCHEMBL1127502 0.70 ATM (0.48) ATMDDB1CRBNALDH1A1NOTUM
SCHEMBL289208 0.69 ATM (0.40) ATMDDB1CRBNALDH1A1NOTUM
SCHEMBL28612089 0.68 ATM (0.39) ATMDDB1CRBNALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
US-7906228-B2 Compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2011-03-15 US disclosed
US-7906228-B2 Compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2011-03-15 US disclosed
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 US disclosed
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 US disclosed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US disclosed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 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 (4 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ATM 1292/4885DDB1 34/4885CRBN 1318/4885
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ ATM 1200/4885DDB1 1915/4885CRBN 563/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ATM 1292/4885DDB1 34/4885CRBN 1318/4885
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same OCIAD1, OCIAD2, ORMDL3 ATM 4102/4885DDB1 3891/4885CRBN 4349/4885

“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.