SCHEMBL21135649

SCHEMBL21135649

CC(C)c1ccc(P)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL171743 0.81 MAOA (0.46) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL5177002 0.78 LMNA (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL11793526 0.78 MCL1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL879123 0.76 PGR (0.43) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL2418298 0.76 ADRB2 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL24484274 0.76 MCL1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL1104691 0.76 VCAM1 (0.44) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL24352667 0.76 MCL1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL8798848 0.76 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL14549022 0.73 LMNA (0.47) ALDH1A1HPGDSMN1; SMN2NPC1POLB

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-20210047287-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-02-18 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 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-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof RORC, RORB, RORA ALDH1A1 484/4885HPGD 398/4885SMN1; SMN2 3331/4885
US-20210047287-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF SSTR5, SSTR4, SSTR3 ALDH1A1 4555/4885HPGD 2120/4885SMN1; SMN2 1061/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 ALDH1A1 1457/4885HPGD 3076/4885SMN1; SMN2 3836/4885

“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.