SCHEMBL16339802

SCHEMBL16339802

Cc1ccc(S(=O)(=O)n2c(C3=CCNCC3)cc3c(F)ccc(C#N)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.43
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ KHK P50053 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
Hydrochloric Acid SCHEMBL16336575 0.99 HTR6 (0.42) HTR6CCNT1CDK9ALKHTR1A
SCHEMBL29709546 0.83 LMNA (0.44) CCNT1CDK9
SCHEMBL16336992 0.83 LMNA (0.44) CCNT1CDK9
SCHEMBL16382718 0.78 SLC22A12 (0.40) HTR6
SCHEMBL16336632 0.76 SLC22A12 (0.38) HTR6
SCHEMBL18499547 0.74 HTR6 (0.36) HTR6CCNT1CDK9ALKHTR7
SCHEMBL15586646 0.70 HTR6 (0.45) HTR6HTR1AHTR7KIT
SCHEMBL16535860 0.70 HTR6 (0.45) HTR6CDK9HTR1AHTR7KIT
SCHEMBL16040328 0.70 HTR6 (0.43) HTR6HTR1AHTR7KIT
SCHEMBL16386540 0.69 ALDH1A1 (0.40) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 — — EP disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO 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 (2 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-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HTR6 3553/4885CCNT1 1238/4885CDK9 106/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HTR6 3553/4885CCNT1 1238/4885CDK9 106/4885

“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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