SCHEMBL9883128

SCHEMBL9883128

CCc1ccc2cnccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.56
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA1B Q00975 1/20 0.40
ERN1 O75460 1/20 0.40
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PRKCZ Q05513 2/20 0.37
PRKCD Q05655 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL9883140 0.79 IMPDH2 (0.40) IMPDH2HTR2AHTR2CHTR2BCACNA1B
SCHEMBL26933489 0.79 IMPDH2 (0.56) IMPDH2HTR2AHTR2CHTR2BCACNA1B
SCHEMBL26933278 0.76 IMPDH2 (0.61) IMPDH2HTR2AHTR2CHTR2BCACNA1B
SCHEMBL26933089 0.76 ERN1 (0.61) IMPDH2HTR2AHTR2CHTR2BCACNA1B
SCHEMBL15047872 0.76 IMPDH2 (0.61) IMPDH2HTR2AHTR2CHTR2BERN1
SCHEMBL6804952 0.75 IMPDH2 (0.66) IMPDH2HTR2AHTR2CHTR2BERN1
SCHEMBL2627867 0.74 LMNA (0.53) CYP2D6CYP3A4KDM4ECYP2C19LMNA
SCHEMBL21401731 0.73 CACNA1B (0.37) IMPDH2HTR2AHTR2CHTR2BCACNA1B
SCHEMBL18910419 0.73 KDM4C (0.39) IMPDH2ERN1CYP2D6CYP3A4KDM4E
SCHEMBL6910872 0.73 CYP2A6 (0.54) LMNACYP1A2ALDH1A1SMN1; SMN2CYP2A6

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
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 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 (3 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-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 IMPDH2 236/4885HTR2A 336/4885HTR2C 477/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 IMPDH2 179/4885HTR2A 136/4885HTR2C 242/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 IMPDH2 236/4885HTR2A 336/4885HTR2C 477/4885

“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.