SCHEMBL9989430

SCHEMBL9989430

Nc1cccc2c1C(=O)N(C1CCC(=O)NC1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.64
▸ HTR2B P41595 2/20 0.64
▸ HTR3E A5X5Y0 1/20 0.64
▸ HTR3B O95264 1/20 0.64
▸ HTR3A P46098 1/20 0.64
▸ HTR3D Q70Z44 1/20 0.64
▸ HTR3C Q8WXA8 1/20 0.64
▸ CRBN Q96SW2 13/20 0.61
▸ DDB1 Q16531 12/20 0.61
▸ IKZF3 Q9UKT9 3/20 0.61
▸ TNF P01375 2/20 0.61
▸ IL1B P01584 2/20 0.61
▸ IKZF1 Q13422 2/20 0.61
▸ TBXA2R P21731 1/20 0.61
▸ HTR2A P28223 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ BRD4 O60885 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL9989426 1.00 TMEM97 (0.64) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL22845476 0.88 CRBN (0.62) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL20129285 0.85 CRBN (0.62) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL845412 0.84 CRBN (0.55) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL21509694 0.84 CRBN (0.55) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL23418195 0.82 DDB1 (0.49) TMEM97HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL31259831 0.79 HTR2B (0.72) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL19582762 0.77 CRBN (0.59) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL10691837 0.77 TMEM97 (0.70) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL28687402 0.77 DDB1 (0.50) TMEM97HTR2BHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-03 — — US disclosed
US-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-11-07 — — US disclosed
EP-2582836-B1 PRPK-TPRKB MODULATORS AND USES THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-03-07 — — EP disclosed
EP-2582836-B1 PRPK-TPRKB MODULATORS AND USES THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-03-07 — — EP disclosed
US-9193989-B2 PRPK-TPRKB modulators and uses thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-24 — — US disclosed
US-9193989-B2 PRPK-TPRKB modulators and uses thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-24 — — US disclosed
US-20110319277-A1 PRPK-TPRKB MODULATORS AND USES THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 — — US disclosed
US-20110319277-A1 PRPK-TPRKB MODULATORS AND USES THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 — — US disclosed
US-20110319277-A1 PRPK-TPRKB MODULATORS AND USES THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 — — US disclosed
WO-2011160042-A2 PRPK-TPRKB MODULATORS AND USES THEREOF MAKOTO LIFE SCIENCES, INC. (US) 2011-12-22 — — 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-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 TMEM97 4683/4885HTR2B 3779/4885HTR3E 3069/4885
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer CDK4, CDK6, CDK2 TMEM97 4683/4885HTR2B 3779/4885HTR3E 3069/4885

“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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