SCHEMBL12005247

SCHEMBL12005247

CC1(C)CN(Cc2ccsc2)Cc2cc(N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CPB2 Q96IY4 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
KDM1A O60341 1/20 0.31
OPRL1 P41146 1/20 0.31
ARRB1 P49407 1/20 0.31
MAT2A P31153 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL12005557 0.77 WEE1 (0.38) LMNAALDH1A1MEN1KMT2A
SCHEMBL6968096 0.77 CA9 (0.43) LMNAALDH1A1TAAR1SIGMAR1MEN1
SCHEMBL12005097 0.76 CHRNB2 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL28813979 0.74 HSD17B3 (0.35)
SCHEMBL12005468 0.74 NR1H2 (0.35) LMNA
SCHEMBL1952271 0.74 LMNA (0.33) LMNAALDH1A1MEN1KMT2A
SCHEMBL12005506 0.73 OPRD1 (0.42) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL12006122 0.73 NR1H2 (0.35)
SCHEMBL12006482 0.73 FPR1 (0.31)
SCHEMBL12005748 0.72 LMNA (0.45) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 LMNA 3229/4885ALDH1A1 2764/4885CPB2 2808/4885

“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.