SCHEMBL12459141

SCHEMBL12459141

COC(=O)Cc1ncc(C(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TYK2 P29597 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
SCHEMBL25096492 0.83 SMN1; SMN2 (0.45) LMNAMAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL12459152 0.81 CACNA1I (0.37) LMNAMAPTSMN1; SMN2ALDH1A1CACNA1I
SCHEMBL12457570 0.79 HSP90AB1 (0.41) LMNAMAPTALDH1A1HSP90AB1NPC1
SCHEMBL4206723 0.79 HSP90AB1 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1HSP90AB1
Trifluoroacetic Acid SCHEMBL38656422 0.79 LMNA (0.45) LMNAMAPTALDH1A1TDP1MAPK1
SCHEMBL2739662 0.78 LMNA (0.47) LMNAMAPTSMN1; SMN2ALDH1A1CACNA1I
SCHEMBL4203638 0.78 HSP90AB1 (0.40) LMNASMN1; SMN2ALDH1A1HSP90AB1NPC1
SCHEMBL17055211 0.78 HSD17B10 (0.43) LMNAMAPTSMN1; SMN2ALDH1A1HSP90AB1
SCHEMBL13765816 0.78 HTT (0.44) SMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL12459149 0.77 HDAC4 (0.36) SMN1; SMN2CACNA1IRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 — — US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 — — US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 — — US disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 — — US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 — — 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 (9 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 LMNA 655/4885MAPT 813/4885SMN1; SMN2 3489/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LMNA 627/4885MAPT 2765/4885SMN1; SMN2 3895/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 LMNA 1011/4885MAPT 1192/4885SMN1; SMN2 3646/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LMNA 897/4885MAPT 2972/4885SMN1; SMN2 3995/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B LMNA 627/4885MAPT 2765/4885SMN1; SMN2 3895/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH LMNA 1931/4885MAPT 3299/4885SMN1; SMN2 2329/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LMNA 627/4885MAPT 2765/4885SMN1; SMN2 3895/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B LMNA 897/4885MAPT 2972/4885SMN1; SMN2 3995/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 LMNA 655/4885MAPT 813/4885SMN1; SMN2 3489/4885

“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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