SCHEMBL19162624

SCHEMBL19162624

Cc1nc(C(C)(C)C)c2sc3ccccc3c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ MAPT P10636 4/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LIMK1 P53667 2/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KRAS P01116 1/20 0.37
▸ GPR3 P46089 1/20 0.35
▸ EGFR P00533 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL25817310 0.84 TNKS (0.46) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL24222727 0.83 TNKS (0.45) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL25016499 0.83 TNKS (0.45) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19162691 0.81 TNKS (0.46) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL16919853 0.80 MAPT (0.54) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19161954 0.79 TNKS (0.47) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19161622 0.77 TNKS (0.41) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL14090701 0.76 LIMK1 (0.59) TNKSTNKS2NPSR1LIMK1CDK5
SCHEMBL19161277 0.76 TNKS (0.45) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19162623 0.75 ELANE (0.41) TNKSTNKS2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180114940-A1 Organic Electroluminescent Device Comprising a Redox-Doped Electron Transport Layer and an Auxiliary Electron Transport Layer SAMSUNG SDI CO. LTD. (KR) 2018-04-26 — — US disclosed
US-20180114921-A1 Organic Semiconducting Material Comprising an Electrical n-Dopant and an Electron Transport Matrix and Electronic Device Comprising the Semiconducting Material NOVALED GMBH (DE) 2018-04-26 — — US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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 (3 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-20180114921-A1 Organic Semiconducting Material Comprising an Electrical n-Dopant and an Electron Transport Matrix and Electronic Device Comprising the Semiconducting Material OCIAD2, OCIAD1, DRD1 TNKS 3816/4885TNKS2 3822/4885MAPT 294/4885
US-20180114940-A1 Organic Electroluminescent Device Comprising a Redox-Doped Electron Transport Layer and an Auxiliary Electron Transport Layer SLC25A21, MT-ND4L, OXA1L TNKS 4036/4885TNKS2 3895/4885MAPT 576/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885MAPT 1589/4885

“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.

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