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SCHEMBL20741504

SCHEMBL20741504

Cn1nccc1C(=O)Nc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ NAMPT P43490 1/20 0.58
▸ PKM P14618 1/20 0.53
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HTT P42858 1/20 0.48

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
SCHEMBL20741557 0.83 AHR (0.62) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20759369 0.81 AHR (0.49) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20741478 0.81 HTT (0.60) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20762858 0.79 AHR (0.48) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20741555 0.79 NPC1 (0.73) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20741566 0.79 NPC1 (0.73) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20760032 0.76 AHR (0.47) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20741480 0.76 NPC1 (0.46) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL14937993 0.75 NPC1 (0.68) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL20660814 0.74 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2D6CYP2C19

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-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
EP-3668496-A1 AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 — — WO disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — 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 (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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 NPC1 2197/4885RAB9A 4623/4885CYP1A2 50/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 NPC1 2197/4885RAB9A 4623/4885CYP1A2 50/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 NPC1 2197/4885RAB9A 4623/4885CYP1A2 50/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 NPC1 2197/4885RAB9A 4623/4885CYP1A2 50/4885

“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.