SCHEMBL21662369

SCHEMBL21662369

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccccc6)ccn5)cc4)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.43
TRPV1 Q8NER1 1/20 0.41
KIF11 P52732 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
METAP2 P50579 1/20 0.38
SMO Q99835 2/20 0.37
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL18015600 0.92 TRPV1 (0.46) TGFBR1TRPV1ABL1BCRMETAP2
SCHEMBL19794448 0.92 TRPV1 (0.46) TGFBR1TRPV1ABL1BCRMETAP2
SCHEMBL21662243 0.90 TGFBR1 (0.38) TGFBR1TRPV1KIF11ABL1BCR
SCHEMBL19831193 0.89 TRPV1 (0.40) TGFBR1TRPV1ABL1BCRMETAP2
SCHEMBL19831001 0.89 TRPV1 (0.40) TGFBR1TRPV1ABL1BCRMETAP2
SCHEMBL23956266 0.88 TGFBR1 (0.52) TGFBR1SMOASIC3
SCHEMBL21662273 0.88 TGFBR1 (0.52) TGFBR1SMOASIC3
SCHEMBL19794405 0.87 NPC1 (0.40) TGFBR1TRPV1KIF11ABL1BCR
SCHEMBL21662242 0.85 TRPV1 (0.41) TGFBR1TRPV1ABL1BCRMETAP2
SCHEMBL18015581 0.85 TRPV1 (0.41) TGFBR1TRPV1ABL1BCRMETAP2

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC TGFBR1 953/4885TRPV1 359/4885KIF11 897/4885

“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.