SCHEMBL16776360

SCHEMBL16776360

C[C@@H]1CNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N(C(=O)Nc2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.46
▸ HTR2A P28223 8/20 0.46
▸ KIT P10721 2/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PIKFYVE Q9Y2I7 2/20 0.40
▸ FAAH O00519 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL16776366 0.91 PHGDH (0.40) HTR2CHTR2A
SCHEMBL16776374 0.88 TSHR (0.46) HTR2CHTR2AMAPTMAPKAPK2RPS6KA3
SCHEMBL16776361 0.87 BRAF (0.44) HTR2CHTR2AKITHTR2BMEN1
SCHEMBL16776365 0.85 MPL (0.43) FAAHKDRMAPK14BRAF
SCHEMBL16775824 0.84 HTR2A (0.50) HTR2CHTR2AKITHTR2BMEN1
SCHEMBL16785538 0.84 HTR2A (0.49) HTR2CHTR2AKITHTR2BMEN1
SCHEMBL19670473 0.83 HTR2C (0.51) HTR2CHTR2AKITHTR2BMEN1
SCHEMBL16776347 0.83 ALOX15 (0.38) MAPTCYP3A4CYP2D6FAAHTSHR
SCHEMBL16785576 0.81 HTR2A (0.41) HTR2CHTR2AKITMEN1KMT2A
SCHEMBL16776357 0.81 BRAF (0.40) BRAF

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 HTR2C 4651/4885HTR2A 4386/4885KIT 2844/4885

“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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