SCHEMBL13625358

SCHEMBL13625358

Cc1cnc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.51
DAO P14920 3/20 0.45
ABL1 P00519 6/20 0.40
SRC P12931 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SMAD3 P84022 1/20 0.38
EIF4A3 P38919 1/20 0.37

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
SCHEMBL13625357 0.86 ABL1 (0.42) ABL1SRCHRH4
SCHEMBL17324213 0.83 ABL1 (0.56) ABL1SRC
SCHEMBL31296111 0.81 SMAD3 (0.50) PIN1DAOABL1SRCKDM4E
SCHEMBL5218804 0.80 KDM4E (0.57) ABL1SRCKDM4EMAPTHPGD
SCHEMBL15738800 0.79 DAO (0.45) PIN1DAOABL1SRCKDM4E
SCHEMBL16592793 0.79 TSHR (0.46) PIN1DAOABL1SRCKDM4E
SCHEMBL297192 0.79 KDM4E (0.51) PIN1DAOABL1SRCKDM4E
SCHEMBL2106960 0.79 F7 (0.56) PIN1DAOABL1SRCKDM4E
SCHEMBL13180937 0.79 ALDH1A1 (0.43) DAOABL1SRCKDM4EHPGD
SCHEMBL29722116 0.79 ALDH1A1 (0.43) DAOABL1SRCKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 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 (4 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-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PIN1 2559/4885DAO 2963/4885ABL1 878/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PIN1 2559/4885DAO 2963/4885ABL1 878/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 PIN1 70/4885DAO 69/4885ABL1 931/4885
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 PIN1 3709/4885DAO 2638/4885ABL1 524/4885

“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.