SCHEMBL16776383

SCHEMBL16776383

C[C@@H]1CNc2ccc(-c3cncc(C(C)(C)F)c3)nc2N(C(=O)Nc2cncc(F)c2)[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.35
▸ CLK2 P49760 8/20 0.35
▸ CLK3 P49761 7/20 0.35
▸ TRPV3 Q8NET8 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ WNT1 P04628 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ CTPS1 P17812 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 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
SCHEMBL16776384 0.92 PRMT5 (0.39) DYRK1ACLK2CLK3PRMT5WDR77
SCHEMBL16776397 0.90 RPS6KA3 (0.40) HTR2CHTR2BHTR2ACACNA1GCACNA1H
SCHEMBL16776393 0.85 AR (0.34) DYRK1A
SCHEMBL16785562 0.84 RPS6KA3 (0.38) HTR2CHTR2BHTR2ACACNA1GCACNA1H
SCHEMBL16776399 0.83 CREBBP (0.42) DYRK1AGSK3BHTR2CHTR2BHTR2A
SCHEMBL16776145 0.81 TRPV3 (0.35) DYRK1ACLK2CLK3TRPV3WNT1
SCHEMBL16776395 0.80 TRPA1 (0.33) —
SCHEMBL16776388 0.80 NPC1 (0.38) DYRK1ACLK2CLK3WNT1
SCHEMBL16776387 0.79 PTGS1 (0.35) DYRK1AGSK3BWNT1PRMT5WDR77
SCHEMBL16776394 0.78 FAAH (0.34) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885CLK2 712/4885CLK3 1301/4885

“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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