SCHEMBL24229573

SCHEMBL24229573

CC(C)NCc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ HTR2A P28223 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ TMEM97 Q5BJF2 3/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ TACR1 P25103 3/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ CCR2 P41597 2/20 0.34
▸ MTOR P42345 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
Hydrochloric Acid SCHEMBL1000492 0.98 ALDH1A1 (0.40) ALDH1A1NOTUMHTR2AHTR2BSIGMAR1
SCHEMBL14569541 0.88 IDO1 (0.47) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL14438263 0.81 CYP3A4 (0.43) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL18252826 0.81 ALDH1A1 (0.41) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL18252812 0.80 KCNH2 (0.44) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL18252804 0.78 MEN1 (0.47) ALDH1A1IDO1TMEM97MEN1KMT2A
SCHEMBL18252801 0.76 ALDH1A1 (0.38) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL18252840 0.76 RXRA (0.40) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
Hydrochloric Acid SCHEMBL999791 0.75 ALDH1A1 (0.36) ALDH1A1LMNAMAPTIDO1CCR5
SCHEMBL18252800 0.75 RXRA (0.43) ALDH1A1HTR2AHTR2BSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
CN-116601150-A Fused bicyclic RAF inhibitors and methods of use thereof 爵士制药爱尔兰有限公司 2023-08-15 — — CN disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 — — WO disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 — — 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 (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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS ALDH1A1 2065/4885NOTUM 3311/4885HTR2A 4740/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS ALDH1A1 2065/4885NOTUM 3311/4885HTR2A 4740/4885

“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.

Send feedback