SCHEMBL2159069

SCHEMBL2159069

N#Cc1nc(C(F)(F)F)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
KMT2A Q03164 2/20 0.34
SLC6A4 P31645 2/20 0.34
NOS2 P35228 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
HIF1A Q16665 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MAT2A P31153 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL30032746 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TRPV4KMT2ASLC6A4
SCHEMBL14629964 0.81 HSP90AA1 (0.32) ALDH1A1TRPV4KMT2AHSP90AA1HSP90AB1
SCHEMBL23534846 0.78 GABRA1 (0.36) ALDH1A1TRPV4SLC6A4NOS2LMNA
SCHEMBL30593099 0.77 TRPV4 (0.35) ALDH1A1TRPV4SLC6A4NOS2KDM4E
SCHEMBL2634551 0.77 NOTUM (0.36) ALDH1A1TRPV4SLC6A4NOS2POLB
SCHEMBL25253794 0.77 TRPV4 (0.35) ALDH1A1TRPV4SLC6A4NOS2KDM4E
SCHEMBL23559730 0.77 KDM4E (0.36) ALDH1A1SMN1; SMN2TRPV4SLC6A4NOS2
SCHEMBL10351348 0.77
SCHEMBL14630424 0.75 HSP90AA1 (0.36) ALDH1A1HSP90AA1HSP90AB1KDM4E
SCHEMBL21248120 0.74 PIK3CD (0.33) PIK3CD

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
WO-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 WO disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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 (5 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885SMN1; SMN2 4000/4885TRPV4 421/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885SMN1; SMN2 4000/4885TRPV4 421/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 584/4885SMN1; SMN2 4228/4885TRPV4 1192/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885SMN1; SMN2 4221/4885TRPV4 1201/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB ALDH1A1 879/4885SMN1; SMN2 3855/4885TRPV4 2322/4885

“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.