SCHEMBL21032897

SCHEMBL21032897

Cc1cc2cc(F)ccc2n1CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
PDE10A Q9Y233 2/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CCR2 P41597 1/20 0.34
GRIA2 P42262 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
MAPT P10636 1/20 0.32

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
SCHEMBL1103817 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL19506933 0.80 PRMT5 (0.45) PRMT5ALDH1A1KDM4EMEN1GAA
SCHEMBL21335574 0.78 TP53 (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13640280 0.77 ALDH1A1 (0.54) PRMT5ALDH1A1KDM4EMEN1GAA
SCHEMBL5621855 0.76 NOD2 (0.46) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL18509284 0.75 KDM4E (0.45) PRMT5ALDH1A1KDM4EMEN1GAA
SCHEMBL20853226 0.74 ALDH1A1 (0.68) PRMT5ALDH1A1KDM4EMEN1GAA
SCHEMBL12580665 0.74 PRMT5 (0.44) PRMT5ALDH1A1KDM4EMEN1GAA
SCHEMBL4707774 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2591249 0.73 KDM4E (0.49) PRMT5ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 PRMT5 2357/4885ALDH1A1 1366/4885KDM4E 4467/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PRMT5 2357/4885ALDH1A1 1366/4885KDM4E 4467/4885

“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.