Sugi Predict

Sugi Predict / Compounds / SCHEMBL13404348

SCHEMBL13404348

SCHEMBL13404348

Cc1cc(I)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 3/20 0.42
▸ NOTUM Q6P988 1/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.32
▸ XPO1 O14980 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL30776207 1.00 RAPGEF4 (0.42) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL81205 0.82 CES2 (0.46) RAPGEF4MAPTCES2XPO1
SCHEMBL2159227 0.82 CES2 (0.40) RAPGEF4MAPTCES2NOS3
SCHEMBL130017 0.82 RAPGEF4 (0.50) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL107119 0.82 RAPGEF4 (0.56) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL3196711 0.78 POLB (0.41) PGK1PGK2MAPT
SCHEMBL30138691 0.78 POLB (0.41) PGK1PGK2MAPT
SCHEMBL26504576 0.76 RAPGEF4 (0.47) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL19426782 0.76 RAPGEF4 (0.47) RAPGEF4NOTUMPGK1PGK2TAS2R14
SCHEMBL18077879 0.76 GABRB2 (0.42) RAPGEF4MAPTKIF11CES2XPO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246969-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-25 — — US disclosed
EP-4337660-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS Bristol-Myers Squibb Company (US) 2024-03-20 — — EP disclosed
CN-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 — — CN disclosed
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPharma Ltd. (KY) 2023-09-28 — — US disclosed
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XWPharma Ltd. (KY) 2023-09-26 — — US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 — — US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 — — US disclosed
WO-2022240826-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 — — WO disclosed
WO-2022199256-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2022-09-29 — — WO disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 — — EP disclosed
EP-3452466-B1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-08-12 — — EP disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 — — WO disclosed
WO-2020079198-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-23 — — WO disclosed
WO-2017027435-A1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-02-16 — — WO disclosed
US-20160318961-A1 COMPLEXES AND CATALYTIC PROCESSES THE UNIVERSITY OF SUSSEX (GB) 2016-11-03 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 — — US disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 — — 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 (6 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-20240246969-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS CAMKK2, CAMKK1, CAMK1 RAPGEF4 472/4885NOTUM 4046/4885PGK1 157/4885
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 RAPGEF4 3575/4885NOTUM 4230/4885PGK1 3471/4885
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 RAPGEF4 1259/4885NOTUM 2466/4885PGK1 3251/4885
US-20160318961-A1 COMPLEXES AND CATALYTIC PROCESSES SOD1, PDCD1, PDCD1LG2 RAPGEF4 2834/4885NOTUM 2744/4885PGK1 578/4885
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XPOT, XPO1, XPO5 RAPGEF4 1371/4885NOTUM 4403/4885PGK1 822/4885
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPOT, XPO1, XPO5 RAPGEF4 1371/4885NOTUM 4403/4885PGK1 822/4885

“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.