SCHEMBL19014172

SCHEMBL19014172

ClCc1ccc2[nH]ccc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.38
RHEB Q15382 4/20 0.38
AHR P35869 2/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
NR4A2 P43354 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL38650836 0.85 P2RX7 (0.36) P2RX7RHEBAHRF7LTA4H
SCHEMBL19014001 0.82 P2RX7 (0.41) P2RX7RHEB
SCHEMBL8528724 0.82 P2RX7 (0.40) P2RX7RHEB
SCHEMBL8526249 0.79 P2RX7 (0.35) P2RX7RHEB
SCHEMBL830446 0.74 RHEB (0.50) P2RX7RHEBAHRF7LTA4H
SCHEMBL31416308 0.74 RHEB (0.50) P2RX7RHEBAHRF7LTA4H
SCHEMBL27894949 0.73 AHR (0.55) RHEBAHRGPR84
SCHEMBL8529419 0.71 AXL (0.48) P2RX7RHEBAHRF7LTA4H
SCHEMBL8528766 0.71 RHEB (0.40) P2RX7RHEBAHRF7LTA4H
SCHEMBL1065531 0.71 AHR (0.52) P2RX7RHEBAHRF7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 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-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 P2RX7 1891/4885RHEB 1559/4885AHR 1587/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 P2RX7 1891/4885RHEB 1559/4885AHR 1587/4885

“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.